5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one

C20H29BrN2O — CID 55761211

IUPAC5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one
SMILESO=C(CCCCc1ccc(Br)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H29BrN2O/c21-18-11-9-17(10-12-18)5-1-4-8-20(24)23-15-13-22(14-16-23)19-6-2-3-7-19/h9-12,19H,1-8,13-16H2
InChIKeyHWYXMOHYTOWMOV-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.25
Rot. Bonds6

About 5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one

5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one (PubChem CID 55761211) has the molecular formula C20H29BrN2O and a molecular weight of 393.37 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one
PubChem CID55761211
Molecular FormulaC20H29BrN2O
Molecular Weight393.37 g/mol
Exact Mass392.15
IUPAC Name5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one
SMILESO=C(CCCCc1ccc(Br)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H29BrN2O/c21-18-11-9-17(10-12-18)5-1-4-8-20(24)23-15-13-22(14-16-23)19-6-2-3-7-19/h9-12,19H,1-8,13-16H2
InChIKeyHWYXMOHYTOWMOV-UHFFFAOYSA-N
XLogP4.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromophenyl)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]pentan-1-one
CID 55761330
3-(4-bromophenyl)sulfanyl-1-(4-cyclopentylpiperazin-1-yl)propan-1-one
CID 55997090
(3R)-1-[5-(4-bromophenyl)pentanoyl]pyrrolidine-3-carboxylic acid
CID 124700041
1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 55774449
1-(4-cyclohexylpiperazin-1-yl)-4-(3,4-dimethoxyphenyl)butan-1-one
CID 18456269
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one
CID 60602172
3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one
CID 61116139
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
5-(4-bromophenyl)-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pentan-1-one
CID 55975598
1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 110741288
5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one
CID 55791274
(2S)-4-[5-(4-bromophenyl)pentanoyl]morpholine-2-carboxylic acid
CID 124700538

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one (CID 55761211) is 5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one is O=C(CCCCc1ccc(Br)cc1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one?
The InChIKey is HWYXMOHYTOWMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BrN2O/c21-18-11-9-17(10-12-18)5-1-4-8-20(24)23-15-13-22(14-16-23)19-6-2-3-7-19/h9-12,19H,1-8,13-16H2.
What are the key properties of 5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one?
5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one has a molecular weight of 393.37 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 55761211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).